CID 205314

1-methyl-4-(3,4,5-trimethoxybenzoylethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H26N2O4/c1-18-7-9-19(10-8-18)6-5-14(20)13-11-15(21-2)17(23-4)16(12-13)22-3/h11-12H,5-10H2,1-4H3
InChIKey
SZFHCFHZPHMKKZ-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 177.4
[M+Na]+ 345.178488 182.9
[M-H]- 321.181994 180.6
[M+NH4]+ 340.223093 188.9
[M+K]+ 361.152428 180.9
[M+H-H2O]+ 305.186530 167.8
[M+HCOO]- 367.187471 193.7
[M+CH3COO]- 381.203121 210.4
[M+Na-2H]- 343.163936 177.0
[M]+ 322.18872142 180.2
[M]- 322.18981858 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.